Crystallography Open Database

Information card for entry 2311132

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Structure parameters

Chemical name	2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole
Formula	C28 H19 F N2 O
Calculated formula	C28 H19 F N2 O
SMILES	Fc1ccc(cc1)c1nc2c(n1c1ccc(OC)cc1)c1c(c3c2cccc3)cccc1
Title of publication	2-(4-Fluoro-phen-yl)-1-(4-meth-oxy-phen-yl)-1H-phenanthro[9,10-d]imidazole.
Authors of publication	Mohandas, T.; Sathishkumar, R.; Sakthivel, P.; Jayabharathi, J.
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 3
Pages of publication	o368
a	9.643 ± 0.0003 Å
b	9.898 ± 0.0003 Å
c	12.307 ± 0.0004 Å
α	77.432 ± 0.001°
β	71.621 ± 0.001°
γ	73.158 ± 0.001°
Cell volume	1056.57 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311132.cif
245604	2019-12-25	cif/ Adding structures of 2311132 via cif-deposit CGI script.	2311132.cif